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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 31, 2008
Conformational dynamics of minimal elastin-like polypeptides: the role of proline revealed by molecular dynamics and nuclear magnetic resonanceRachel Glaves, Marcel Baer, Eduard Schreiner, et al.The Journal of Chemical Physics|June 21, 2012
Constrained spin-density dynamics of an iron-sulfur complex: ferredoxin cofactorMd Ehesan Ali, Nisanth N Nair, Volker Staemmler, et al.Chemical Science|April 1, 2026
Water self-dissociation in slit pores displays non-monotonic behavior as a function of water fillingSergi Ruiz-Barragan, Daniel Muñoz-Santiburcio, Saskia Körning, et al.Nature Chemistry|March 11, 2017
Unexpected mechanochemical complexity in the mechanistic scenarios of disulfide bond reduction in alkaline solutionPrzemyslaw Dopieralski, Jordi Ribas-Arino, Padmesh Anjukandi, et al.Journal of Chemical Theory and Computation|December 4, 2015
Magnetostructural Dynamics with the Extended Broken Symmetry Formalism: Antiferromagnetic [2Fe-2S] ComplexesNisanth N Nair, Eduard Schreiner, Rodolphe Pollet, et al.Physical Chemistry Chemical Physics : PCCP|September 17, 2010
Switching of functionalized azobenzene suspended between gold tips by mechanochemical, photochemical, and opto-mechanical meansRobert Turanský, Martin Konôpka, Nikos L Doltsinis, et al.The Journal of Chemical Physics|February 17, 2011
Methanol synthesis on ZnO(0001). III. Free energy landscapes, reaction pathways, and mechanistic insightsJanos Kiss, Johannes Frenzel, Nisanth N Nair, et al.Angewandte Chemie (International Ed. in English)|December 5, 2015
Force-Induced Reversal of β-Eliminations: Stressed Disulfide Bonds in Alkaline SolutionPrzemyslaw Dopieralski, Jordi Ribas-Arino, Padmesh Anjukandi, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 4, 2009
Characterizing Pt-derived anticancer drugs from first principles: the case of oxaliplatin in aqueous solutionElizabeth C Beret, Rafael R Pappalardo, Dominik Marx, et al.Proceedings of the National Academy of Sciences of the United States of America|December 21, 2007
Dynamical magnetostructural properties of Anabaena ferredoxinEduard Schreiner, Nisanth N Nair, Rodolphe Pollet, et al.Pageof 23